Introduction：Basic information about CAS 391680-92-5|5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER |
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| CAS Number | 391680-92-5 | Molecular Weight | 252.24700 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C10H8N2O4S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | methyl 5-hydroxy-4-oxo-2-thiophen-2-yl-1H-pyrimidine-6-carboxylate |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | pUL89 Endonuclease-IN-1 (Compound 13d) is a potent inhibitor of human cytomegalovirus (HCMV) pUL89 endonuclease with the IC50 value of 0.88 μM and has antiviral activitiy[1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>CMV |
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| Target | IC50:0.88μM (pUL89-C) |
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| In Vitro | pUL89 Endonuclease-IN-1 (compound 13d) is strongly inhibited pUL89-C with the values of IC500.88μM. pUL89 Endonuclease-IN-1 reveals excellent aqueous solubility, plasma stability, and metabolic stability in vitro ADME. pUL89 Endonuclease-IN-1 displays moderately permeability in the PAMPA[1]. Cell Cytotoxicity Assay[1] Cell Line: HFF cells Concentration: 5 μM Incubation Time: 168 h Result: Showed significant inhibition for HCMV at 5 μM. |
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| References | [1]. Tianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849. [2]. ianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849. |
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Chemical & Physical Properties
| Molecular Formula | C10H8N2O4S |
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| Molecular Weight | 252.24700 |
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| Exact Mass | 252.02000 |
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| PSA | 120.52000 |
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| LogP | 0.99060 |
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| InChIKey | QAIMSDCSXBBWEK-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O |
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Synonyms
| 5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester |
| methyl 5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxylate |
| 4-Pyrimidinecarboxylic acid,5,6-dihydroxy-2-(2-thienyl)-,methyl ester |
| methyl 2-(2-thienyl)-4,5-dihydroxypyrimidine-6-carboxylate |
| (6E)-6-[hydroxy(methoxy)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione |
